Leticia Madureira
Leticia Madureira
Hello @PawanKolhe, I have removed the broken link: "Hits" of the main page of the repository, because when you click on it, you receive an error message saying that it...
I've tested the following command on REPL (using Ubuntu terminal): ```julia mol2 = smilestomol("O=C3N2/C(=C(/C=C\\c1scnc1C)CS[C@@H]2[C@@H]3NC(=O)C(=N\\OC)/c4nc(sc4)N)C(=O)O") molsvg2 = drawsvg(mol2, 300, 300) display("image/svg+xml", molsvg2) ``` but I got an error message: ```julia ERROR:...
I think one good alternative for more dynamic use of the package is to implement it on Pluto.jl, as a reactive tool.
The method `moltosmiles` is missing, I will submit a PR solving it. Please someone(@mojaie) could assign me on this issue? #23 Strategy: https://stackoverflow.com/questions/51195392/smiles-from-graph https://github.com/dakoner/keras-molecules/blob/dbbb790e74e406faa70b13e8be8104d9e938eba2/convert_rdkit_to_networkx.py
- [ ] add docstrings to the functions - [ ] build a web page with the documentation
Hey, @papamarkou, I am interested in contributing to your package and upgrading it to Julia's newest version. Could I fork the project and we can keep in contact?
Hello, the equation (17) was wrong, I have corrected it
Hello, I have tried to run crest using funsies: ```python """Generate a single conformer from a SMILES string.""" from __future__ import annotations import argparse import funsies as f from funsies.types...
Option: run the GUI online (?) → Add references